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This study aims to get the optimization neutron shielding design of iron/polyethylene combined shield structure. The neutron transmission coefficient with various energies for different thickness of iron and polyethylene combined shield structure were calculated by using Monte Carlo method. The simulation results show that the optimization effect of iron/polyethylene combined shield is not obvious when the neutron energy is low or the shield is thin, there is an optimal thickness ratio of iron to polyethylene adopted to get the best neutron shielding performance when the energy of neutron source is above 2 MeV and the total thickness of combined shielding structure is more than 20 cm. The optimal thickness ratio of iron to polyethylene increases with the increasing energy of neutron source; with the increasing of neutron source energy ranging from 4 MeV to 14 MeV, the optimal thickness ratio of iron to polyethylene trends from 0.11 to nearly 1.6.